Reaction Details  Report a problem with these data
Target
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Ligand
BDBM50135527
Substrate
n/a
Meas. Tech.
ChEMBL_141734 (CHEMBL749247)
IC50
5.1±n/a nM
Citation
 Tormo, JR; Gallardo, T; Peris, E; Bermejo, A; Cabedo, N; Estornell, E; Zafra-Polo, MC; Cortes, D Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives. Bioorg Med Chem Lett 13:4101-5 (2003) [PubMed]
Target
Name:
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Synonyms:
Mitochondrial complex I; NADH oxidoreductase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 141738
Components:
This complex has 2 components.
Component 1
Name:
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Synonyms:
CI-51kD | Complex I-51kD | NADH dehydrogenase flavoprotein 1 | NADH-ubiquinone oxidoreductase 51 kDa subunit | NDUFV1 | NDUV1_BOVIN | UQOR1
Type:
PROTEIN
Mol. Mass.:
50659.85
Organism:
Bos taurus
Description:
EBI_100771
Residue:
464
Sequence:
MLAARRLLGGSLPARVSVRFSGDTTAPKKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWILGEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKDREIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAYEAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKPPFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLFNISGHVNNPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPLIPKSVCETVLMDFDALIQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHESCGQCTPCREGVDWMNKVMARFVRGDARPAEIDSLWEISKQIEGHTICALGDGAAWPVQGLIRHFRPELEERMQQFAQQHQARQAAF
  
Component 2
Name:
Acyl carrier protein, mitochondrial
Synonyms:
ACP | ACPM_BOVIN | CI-SDAP | NADH-ubiquinone oxidoreductase 9.6 kDa subunit | NDUFAB1
Type:
PROTEIN
Mol. Mass.:
17397.64
Organism:
Bos taurus
Description:
ChEMBL_469770
Residue:
156
Sequence:
MAVRVLCACVRRLPTAFAPLPRLPTLAAARPLSTTLFAAETRTRPGAPLPALVLAQVPGRVTQLCRQYSDAPPLTLEGIKDRVLYVLKLYDKIDPEKLSVNSHFMKDLGLDSLDQVEIIMAMEDEFGFEIPDIDAEKLMCPQEIVDYIADKKDVYE
  
Inhibitor
Name:
BDBM50135527
Synonyms:
(-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one | 5'beta-rotenone | Barbasco | CHEMBL429023 | Canex | Noxfire | [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one | rotenone
Type:
Small organic molecule
Emp. Form.:
C23H22O6
Mol. Mass.:
394.4172
SMILES:
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r|
Structure:
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